Information card for entry 2228700

Structure parameters

• Common name: <i>N</i>-(4-Methylphenyl)succinamic acid
• Chemical name: 3-[(4-methylphenyl)carbamoyl]propanoic acid
• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• SMILES: c1(ccc(cc1)C)NC(=O)CCC(=O)O
• Title of publication: <i>N</i>-(4-Methylphenyl)succinamic acid
• Authors of publication: Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o227
• a: 4.96 ± 0.001 Å
• b: 8.09 ± 0.002 Å
• c: 13.893 ± 0.002 Å
• α: 83.52 ± 0.02°
• β: 80.08 ± 0.02°
• γ: 78.15 ± 0.01°
• Cell volume: 535.7 ± 0.19 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes